Geometry & MOs

Info

ID:	305999
PubChem CID:	125000022
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	4.48
IP(EA), eV:	-9.41(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-1-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@]1(CCCO1)CNC(=O)C2=CN=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations